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Fragment and Geometry Aware Tokenization of Molecules for Structure-Based Drug Design Using Language Models

PubMed(2024)10.48550/arxiv.2408.09730Source: DataRank Database

Fragment and Geometry Aware Tokenization of Molecules for Structure-Based Drug Design Using Language Models is a research paper published in PubMed (2024). On theSindex it has a DataRank of 0. It has been cited 1 time.

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Open Access1 citations

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›Methodology & internals

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Pipeline:MetadataData-paper checkEnrichmentCitation networkScoring

Enrichment:Funding (3 grants)OA: greenTopics (23)IDs (PubMed, OpenAlex)SDGs (1)

FAIR Checklist

Context only (not used in score)

Findable (1/2)

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Accessible (1/2)

Open Access

Interoperable (0/2)

Reusable (0/3)

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Authors (5)

Xiner Li,Blake Olson,Heng Ji ORCID,Shuiwang Ji ORCID,C. D. Fu ORCID

Live enrichment

PubMed:39253633 OpenAlex:https://openalex.org/W4402428557

National Institutes of Health

Grant: 3U01AG070112-02S3

Genetics of deep-learning-derived neuroimaging endophenotypes for Alzheimer's Disease

National Science Foundation

Grant: 2019897

Molecule Maker Lab Institute (MMLI): An AI Institute for Molecular Discovery, Synthetic Strategy, and Manufacturing

National Science Foundation

Grant: 2243850

III: Small: 3D Graph Neural Networks: Completeness, Efficiency, and Applications

greenLicense: arXiv Non-Exclusive Distribution

repositoryhttps://arxiv.org/pdf/2408.09730

repositoryhttp://arxiv.org/abs/2408.09730

repositoryhttps://pubmed.ncbi.nlm.nih.gov/39253633

repositoryhttps://www.ncbi.nlm.nih.gov/pmc/articles/11383437

repositoryhttps://doi.org/10.48550/arxiv.2408.09730

Fields of Study

Computational Drug Discovery MethodsProtein Structure and DynamicsChemical Synthesis and AnalysisBiomolecules (q-bio.BM)FOS: Biological sciences0206 medical engineering02 engineering and technology

Keywords

Fragment (logic)Computer scienceContext (archaeology)SpeedupChemical spaceFolding (DSP implementation)AlgorithmTheoretical computer scienceDrug discoveryChemistryParallel computingEngineeringGeographyQuantitative Biology - BiomoleculesFOS: Biological sciencesBiomolecules (q-bio.BM)

Sustainable Development Goals

SDG 0: Quality Education